⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL11182073 | 0.98 | — | — | |
| SCHEMBL5713342 | 0.79 | NOS1 (0.34) | — | |
| SCHEMBL174399 | 0.79 | — | — | |
| SCHEMBL6022879 | 0.77 | — | — | |
| Bromide SCHEMBL27878723 | 0.77 | — | — | |
| SCHEMBL23666770 | 0.75 | — | — | |
| SCHEMBL11152177 | 0.75 | — | — | |
| SCHEMBL3477581 | 0.75 | — | — | |
| SCHEMBL508211 | 0.75 | — | — | |
| SCHEMBL9963226 | 0.75 | NOS1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006051143-A8 | HETEROCYCLIC LIGANDS AND THE GADOLINIUM (III) COMPLEXES THEREOF WITH BIOMEDICAL APPLICATIONS | UNIV NAC DE EDUCACION A DISTAN (ES) | 2006-11-23 | — | — | WO | disclosed |
| WO-2006051142-A1 | 1-PYRAZOLYLETHYL-1,4,7,10-TETRAAZACYCLODODECANE-4,7,10-TRIACETIC ACIDS AND APPLICATION OF THE GADOLINIUM (III) COMPLEXES THEREOF IN CLINICAL DIAGNOSIS | UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA (U.N.E.D.) (ES) | 2006-05-18 | — | — | WO | disclosed |
| WO-2006051143-A1 | HETEROCYCLIC LIGANDS AND THE GADOLINIUM (III) COMPLEXES THEREOF WITH BIOMEDICAL APPLICATIONS | UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA (U.N.E.D.) (ES) | 2006-05-18 | — | — | WO | disclosed |